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Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems

pH is a critical parameter for biological and technological systems directly related with electrical charges. It can give rise to peculiar electrostatic phenomena, which also makes them more challenging. Due to the quantum nature of the process, involving the forming and breaking of chemical bonds,...

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Detalhes bibliográficos
Publicado no:Biophys Rev
Main Authors: Barroso daSilva, Fernando Luís, Dias, Luis Gustavo
Formato: Artigo
Idioma:Inglês
Publicado em: Springer Berlin Heidelberg 2017
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5662048/
https://ncbi.nlm.nih.gov/pubmed/28921104
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s12551-017-0311-5
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